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Concept information

Preferred term

ایبروتینیب  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C25H24N6O2

inchi

  • InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1

inchikey

  • XYFPWWZEPKGCCK-GOSISDBHSA-N

mass

  • 440.49710

monoisotopicmass

  • 440.19607

smiles

  • Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C

subset

  • 3_STAR

synonym EXACT

  • 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one
  • ibrutinib

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:76612

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